| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 19 | Yes |
Popular Name: 3-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]propanoic 3-[4-[2-(2-methylimidazol-1-yl)e…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.48 | 7.07 | -80.48 | 2 | 6 | 1 | 67 | 267.353 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.48 | 4.32 | -47.14 | 0 | 6 | -1 | 64 | 265.337 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.48 | 6.6 | -51.66 | 1 | 6 | 0 | 66 | 266.345 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
